SCHEMBL13698447

SCHEMBL13698447

c1ccc(N2CCN(C3CC4CCC3C4)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
SLC18A3 Q16572 3/20 0.54
KMT2A Q03164 2/20 0.52
PKM P14618 1/20 0.52
AXL P30530 2/20 0.48
KDR P35968 1/20 0.48
GRIN2B Q13224 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.44
MCOLN2 Q8IZK6 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MCOLN1 Q9GZU1 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11315406 1.00 KDM4E (0.57) KDM4ESLC18A3KMT2APKMAXL
SCHEMBL17166950 1.00 KDM4E (0.57) KDM4ESLC18A3KMT2APKMAXL
SCHEMBL14090630 0.84 AXL (0.48) KDM4EKMT2APKMAXLKDR
SCHEMBL4989938 0.84 KDM4E (0.45) KDM4ESLC18A3KMT2APKMAXL
SCHEMBL3452912 0.84 AXL (0.45) KDM4EKMT2APKMAXLKDR
SCHEMBL4989933 0.84 KDM4E (0.45) KDM4ESLC18A3KMT2APKMAXL
SCHEMBL15759153 0.84 KMT2A (0.56) KDM4ESLC18A3KMT2APKMAXL
SCHEMBL12725510 0.84 KMT2A (0.56) KDM4ESLC18A3KMT2APKMAXL
SCHEMBL11318463 0.84 AXL (0.48) KDM4EKMT2APKMAXLKDR
SCHEMBL3959773 0.84 AXL (0.48) KDM4EKMT2APKMAXLKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM4E 2199/4885SLC18A3 187/4885KMT2A 1668/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.